N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride

C20H24ClN3O3 — CID 54724111

IUPACN-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride
SMILESCN(C)CC(O)CNC(=O)c1c(O)c2ccccc2n1-c1ccccc1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-22(2)13-15(24)12-21-20(26)18-19(25)16-10-6-7-11-17(16)23(18)14-8-4-3-5-9-14;/h3-11,15,24-25H,12-13H2,1-2H3,(H,21,26);1H
InChIKeyNWXZVYXONDCSQQ-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.41
Rot. Bonds6

About N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride

N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride (PubChem CID 54724111) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride
PubChem CID54724111
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride
SMILESCN(C)CC(O)CNC(=O)c1c(O)c2ccccc2n1-c1ccccc1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-22(2)13-15(24)12-21-20(26)18-19(25)16-10-6-7-11-17(16)23(18)14-8-4-3-5-9-14;/h3-11,15,24-25H,12-13H2,1-2H3,(H,21,26);1H
InChIKeyNWXZVYXONDCSQQ-UHFFFAOYSA-N
XLogP2.41
TPSA77.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride (CID 54724111) is N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride is CN(C)CC(O)CNC(=O)c1c(O)c2ccccc2n1-c1ccccc1.Cl.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride?
The InChIKey is NWXZVYXONDCSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.ClH/c1-22(2)13-15(24)12-21-20(26)18-19(25)16-10-6-7-11-17(16)23(18)14-8-4-3-5-9-14;/h3-11,15,24-25H,12-13H2,1-2H3,(H,21,26);1H.
What are the key properties of N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride?
N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride has a molecular weight of 389.88 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxypropyl]-3-hydroxy-1-phenylindole-2-carboxamide;hydrochloride is sourced from PubChem (CID 54724111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).